Glycoside
GD018776
Name:
[6-({5,7-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dimethoxybenzoateFormula:
C24H32O12Smiles:
COc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3OC=C[C@@H]4[C@H]3[C@@](C)(O)C[C@H]4O)[C@H](O)[C@H](O)[C@H]2O)cc1OCAglycone:
CC1(O)CC(O)C2C=COC(O)C21.COC(=O)c1ccc(OC)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.51 | Num_heavy_atoms: | 36 |
| TPSA: | 173.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD05108
Formula: C9H14O4
Smiles:
CC1(O)CC(O)C2C=COC(O)C21| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 186.21 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD13182
Formula: C10H12O4
Smiles:
COC(=O)c1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
